2,2-Dimethyl-propionic acid (3E,5E)-(R)-7-hydroxy-1,8-dimethyl-nona-3,5-dienyl ester | 1071067-29-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-Dimethyl-propionic acid (3E,5E)-(R)-7-hydroxy-1,8-dimethyl-nona-3,5-dienyl ester
• CAS: 1071067-29-2
• 化学式: C₁₆H₂₈O₃
• 分子量: 268.397
• InChiKey: KLNUPTZDXSPWRN-DFBIYMBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-propionic acid (3E,5E)-(R)-7-hydroxy-1,8-dimethyl-nona-3,5-dienyl ester 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 12.0h， 以70%的产率得到2,2-Dimethyl-propionic acid (3E,5E)-(R)-1,8-dimethyl-7-oxo-nona-3,5-dienyl ester
  参考文献：
  名称：

  Toward a total synthesis of an aglycone of spiramycin; preparation of a C-10/C-15 fragment

  摘要：

  Esters of the dienyl iodide 2a, which was obtained stereoselectively from the corresponding tin derivative 2b, were shown to condense with i-butyraldehyde in the conditions of the Kishi-Nozaki-Takai reaction without alteration of the E,E configuration of the butadiene moiety. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)83164-4
• 作为产物：
  描述：

  (4E,6E)-(R)-7-Iodo-hepta-4,6-dien-2-ol 在 吡啶 、 chromium dichloride 、 4-二甲氨基吡啶 、 nickel dichloride 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 8.0h， 生成 2,2-Dimethyl-propionic acid (3E,5E)-(R)-7-hydroxy-1,8-dimethyl-nona-3,5-dienyl ester
  参考文献：
  名称：

  Toward a total synthesis of an aglycone of spiramycin; preparation of a C-10/C-15 fragment

  摘要：

  Esters of the dienyl iodide 2a, which was obtained stereoselectively from the corresponding tin derivative 2b, were shown to condense with i-butyraldehyde in the conditions of the Kishi-Nozaki-Takai reaction without alteration of the E,E configuration of the butadiene moiety. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)83164-4